Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9188
- Core Entity Id
- 13379
- Source Entity Count
- 1
- Preferred Name
- 9-methyl-3-undecene
- Name En
- Pubchem Id
- 550666
- Smiles Canonical
- Molecular Formula
- C12H24
- Molecular Weight
- 168.3200
- Inchikey
- RTETXCZSLJTHLA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h6-7,12H,4-5,8-11H2,1-3H3
- Isomeric Smiles
- Cas Id
- 74630-50-5
- Ob Score
- 15.7217
- Mol Logp
- 5.5000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-Methyl-3-Undecene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
9-Methyl-3-Undecene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9-methyl-3-Undecene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9-methyl-3-Undecene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-methyl-3-undecene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9-methyl-3-undecene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
74630-50-5
Herb
HBIN014135
Tcmsp
MOL010674
Sym Map
SMIT11682
Tcmbank
TCMBANKIN025854
Etcm Ingredient
9-methyl-3-Undecene
Itcmdb Generated
ITX-INGREDIENT-346D22E42806
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
74630-50-5
Version
v1,v2
Ob Score
15.7217179215.72171815.722
Suppress
0
Molecule Weight
168.36
Molecular Weight
168.190
Molecular Weight
168.32
Molecular Formula
C12H24
Molecular Formula
C12H24
Molecular Formula
C12H24
Fda Maximum Daily Dose (Fdamdd)
0.090
Quantitative Estimate Of Drug Likeness（Qed）
0.386